CID 12467

1,2,3,5-tetrabromobenzene

Structural Information

Molecular Formula
C6H2Br4
SMILES
C1=C(C=C(C(=C1Br)Br)Br)Br
InChI
InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
YPFCYPZKFQPCOC-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrabromobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

591
Patents

389.689 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.69628 157.1
[M+Na]+ 412.67822 152.3
[M+NH4]+ 407.72282 158.2
[M+K]+ 428.65216 158.6
[M-H]- 388.68172 159.1
[M+Na-2H]- 410.66367 158.7
[M]+ 389.68845 157.4
[M]- 389.68955 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe